[ccp4bb] reference for "true multiplicity"?

2013-05-13 Thread Frank von Delft
Hi, I'm meant to know this but I'm blanking, so I'll crowdsource instead: Anybody know a (the) reference where it was showed that the best SAD data is obtained by collecting multiple revolutions at different crystal offsets (kappa settings)? It's axiomatic now (I hope!), but I remember seeing

[ccp4bb] Fwd: bioassay g-csf

2013-05-13 Thread megha goyal
-- Forwarded message -- From: megha goyal Date: Mon, May 6, 2013 at 1:16 PM Subject: bioassay g-csf To: CCP4BB@jiscmail.ac.uk we perform bioassay of g-csf using m-nfs-60 cell lines but we do not get reproducible results. some time a sample fails and on repeating the assay for sam

Re: [ccp4bb] PISA interface question

2013-05-13 Thread Francois Berenger
On 05/13/2013 06:34 PM, Evgeny Osipov wrote: Hello everybody, I am trying to evaluate solvatation energy of my protein and. Unfortunately the protein highly glycosilated and it seems that PISA does not take into account hydrogen bonds between mannose from one molecule and symmetry related molecul

Re: [ccp4bb] Overide refmac restraints

2013-05-13 Thread Garib N Murshudov
Hi Joel IF you use external restraints then you need to add type 0 at the end. Then refmac will assume that you want to override standard restraints. I.e. exte angle first chain A resi 1 atom S12 second chain A resi 1 atom C10 third chain A resi 2 atom N value 120 sigma 3.0 type 0 It is very st

[ccp4bb] Overide refmac restraints

2013-05-13 Thread Joel Tyndall
H ithere, I am trying to refine a covalently bound ligand to my protein and I am having trouble with the restraints. I have generated the cif file and link within Jligand and this is reasonable. However it appears that REFMAC is overriding these and fitting the ligand to the density. I have ad

Re: [ccp4bb] disordered helix

2013-05-13 Thread Dale Tronrud
Sometimes a floppy bit of a protein is even more floppy in a particular crystal form. Your maps do not appear to support your model of a helix in this location. I would not build it unless maps based on later refinement show something reasonable in the omit map. (Of course if you leave out t

[ccp4bb] Postdoctoral Position available at Brown University, Providence, RI

2013-05-13 Thread Page, Rebecca
The Page Laboratory at Brown University has an opening for a highly motivated postdoctoral research scientist to undertake structural analysis of signaling complexes, with a focus on the interactions between phosphatases, kinases and their regulatory proteins. Most studies typically employ a combin

[ccp4bb] A faculty position in the Department of Biophysics, NIMHANS, Bangalore, India

2013-05-13 Thread Padmanabhan B
Dear all, Opening for Associate/Assistant Professor Position in the Department of Biophysics, National Institute of Mental Health and Neuro Sciences (NIMHANS), Bangalore, INDIA. Research experience: preference to Neuroscience/membrane proteins. Here is the link to the advertisement: http:

[ccp4bb] PISA interface question

2013-05-13 Thread Evgeny Osipov
Hello everybody, I am trying to evaluate solvatation energy of my protein and. Unfortunately the protein highly glycosilated and it seems that PISA does not take into account hydrogen bonds between mannose from one molecule and symmetry related molecule. Is there any way to tell PISA to use lig

Re: [ccp4bb] disordered helix

2013-05-13 Thread Eleanor Dodson
Hard to say without seeing the maps and experimenting. My first check would be to set the NTD occupancies to 0.0 - refine the CTD alone, then look at the maps in COOT. Or maybe let an automatic modelling building program such as Buccaneer try to rebuild the NTD section, with starting phases from t

[ccp4bb] Post-doctoral position at the LMB, Cambridge, UK

2013-05-13 Thread David Barford
MRC Laboratory of Molecular Biology, Cambridge, UK Post-doctoral Scientist Position We seek to appoint a postdoctoral researcher to the Division of Structural Studies to undertake protein crystallographic analysis of the anaphase promoting complex (APC/C) and its subunits. This is an Invest

[ccp4bb] disordered helix

2013-05-13 Thread atul kumar
Dear all, I have solved the structure of my protein by molecular replacement at 2.9A, with Rfactor and Rfree 18 and 22 respectively. Overall everything seems fine, its a two domain protein NTD and CTD, the NTD have high average B factor compared to CTD. A helix of NTD seems to be disordered, I tri